6,6-difluorocyclohexa-2,4-diene-1-carboxamide

C7H7F2NO — CID 150573434

IUPAC6,6-difluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(F)F
InChIInChI=1S/C7H7F2NO/c8-7(9)4-2-1-3-5(7)6(10)11/h1-5H,(H2,10,11)
InChIKeyIMHYSNJDAIAZIK-UHFFFAOYSA-N
MW159.13 g/mol
LogP0.85
Rot. Bonds1

About 6,6-difluorocyclohexa-2,4-diene-1-carboxamide

6,6-difluorocyclohexa-2,4-diene-1-carboxamide (PubChem CID 150573434) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 6,6-difluorocyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6,6-difluorocyclohexa-2,4-diene-1-carboxamide
PubChem CID150573434
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name6,6-difluorocyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(F)F
InChIInChI=1S/C7H7F2NO/c8-7(9)4-2-1-3-5(7)6(10)11/h1-5H,(H2,10,11)
InChIKeyIMHYSNJDAIAZIK-UHFFFAOYSA-N
XLogP0.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,6-difluorocyclohexa-2,4-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-[(1R)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanone
CID 97303738
6-bromo-6-iodocyclohexa-2,4-diene-1-carboxamide
CID 139434519
methyl 6,6-difluorocyclohexa-2,4-diene-1-carboxylate
CID 150388160
6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 67238037
1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide
CID 87710756
5,5,6-trifluorocyclohexa-1,3-diene
CID 22125476
6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl chloride
CID 87240103
2-(6,6-difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate
CID 158199846
6-methyl-6-(1,3-oxazol-2-yl)cyclohexa-2,4-diene-1-carboxamide
CID 69492948
6-fluoro-6-nitrocyclohexa-2,4-diene-1-carboxylic acid
CID 87391076
1-(2-methyl-1-methylsulfinylpropan-2-yl)cyclohexa-3,5-diene-1,2-dicarboxamide
CID 152518180
6-methyl-6-[[(2S)-oxiran-2-yl]methoxy]cyclohexa-2,4-diene-1-carboxamide
CID 87956536

Frequently Asked Questions

What is the IUPAC name of 6,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6,6-difluorocyclohexa-2,4-diene-1-carboxamide (CID 150573434) is 6,6-difluorocyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6,6-difluorocyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C=CC=CC1(F)F.
What is the InChIKey of 6,6-difluorocyclohexa-2,4-diene-1-carboxamide?
The InChIKey is IMHYSNJDAIAZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-7(9)4-2-1-3-5(7)6(10)11/h1-5H,(H2,10,11).
What are the key properties of 6,6-difluorocyclohexa-2,4-diene-1-carboxamide?
6,6-difluorocyclohexa-2,4-diene-1-carboxamide has a molecular weight of 159.13 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorocyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 150573434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).